5-bromopyridine-2,4-diamine dihydrochloride

• ChemBase ID: 292569
• Molecular Formular: C5H8BrCl2N3
• Molecular Mass: 260.94712
• Monoisotopic Mass: 258.92786463
• SMILES: Cl.Cl.Nc1ncc(Br)c(N)c1
• Canonical SMILES: Nc1ncc(c(c1)N)Br.Cl.Cl
• InChI: InChI=1S/C5H6BrN3.2ClH/c6-3-2-9-5(8)1-4(3)7;;/h1-2H,(H4,7,8,9);2*1H
• InChIKey: GIGYQORSQKUOOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopyridine-2,4-diamine dihydrochloride
• IUPAC Traditional name: 5-bromopyridine-2,4-diamine dihydrochloride
• Synonyms: 5-Bromopyridine-2,4-diamine dihydrochloride

Database IDs

• CAS Number: 1241726-02-2
• PubChem SID: 180678100
• PubChem CID: 70701027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0189942
• LogD (pH = 7.4): -0.5771102
• Log P: 0.46093163
• Molar Refractivity: 41.2382 cm^3
• Polarizability: 14.643711 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%